2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl 4-methanoylbenzoate

Systemtic Name: 2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl 4-methanoylbenzoate Openeye Name: 2-(4-oxo-2-thioxo-1H-pyrimidin-5-yl)ethyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl ester IUPAC Name: 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid 2-(4-keto-2-thioxo-1H-pyrimidin-5-yl)ethyl ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)C(=O)OCCC2=CNC(=S)NC2=O

Isomeric SMILES

C1=CC(=CC=C1C=O)C(=O)OCCC2=CNC(=S)NC2=O

InChI

InChI=1S/C14H12N2O4S/c17-8-9-1-3-10(4-2-9)13(19)20-6-5-11-7-15-14(21)16-12(11)18/h1-4,7-8H,5-6H2,(H2,15,16,18,21)